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2H-Benzocyclohepten-2-one, decahydro-9a-hydroxy-4a-nitro-, cis-
SpectraBase Compound ID KOdSjZ9fliN
InChI InChI=1S/C11H17NO4/c13-9-4-7-10(12(15)16)5-2-1-3-6-11(10,14)8-9/h14H,1-8H2/t10-,11+/m1/s1
InChIKey AIPCDAAVHQXLFU-MNOVXSKESA-N
Mol Weight 227.26 g/mol
Molecular Formula C11H17NO4
Exact Mass 227.115758 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5enFE2ze7r9
Name 2H-Benzocyclohepten-2-one, decahydro-9a-hydroxy-4a-nitro-, cis-
Alternate Name(s) (4aR,9aS)-9a-hydroxy-4a-nitrodecahydro-2H-benzo[a]cyclohepten-2-one 7-Hydroxy-1-nitro-cis-bicyclo[5.4.0]undecane-9-one
CAS Registry Number 86572-36-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H17NO4
InChI InChI=1S/C11H17NO4/c13-9-4-7-10(12(15)16)5-2-1-3-6-11(10,14)8-9/h14H,1-8H2/t10-,11+/m1/s1
InChIKey AIPCDAAVHQXLFU-MNOVXSKESA-N
Molecular Weight 227.260 g/mol
SMILES O[C@@]12[C@](N(=O)=O)(CCC(=O)C2)CCCCC1
SPLASH splash10-0avl-9200000000-52f422da94f65729ebe8
Source of Spectrum H-66-854-0
Wiley ID 1228496